2-(2,5-Diaminophenyl)ethanol sulfate (1:1)

C₈H₁₄N₂O₅SCAS 93841-25-9250.27 g/mol

Open in Covalent MOL file

Alcohol Primary amine

Properties

Molecular formula: C₈H₁₄N₂O₅S
Molar mass: 250.27 g/mol
Exact mass: 250.0623 Da
logP: -0.27Crippen estimate
Polar surface area: 146.9 Å²
H-bond donors / acceptors: 5 / 5
Rotatable bonds: 2

Identifiers

CAS number

93841-25-9

SMILES

Nc1ccc(N)c(CCO)c1.O=S(=O)(O)O

InChIKey

VBSLNFWECRRALP-UHFFFAOYSA-N

InChI

InChI=1S/C8H12N2O.H2O4S/c9-7-1-2-8(10)6(5-7)3-4-11;1-5(2,3)4/h1-2,5,11H,3-4,9-10H2;(H2,1,2,3,4)

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

2 names

Benzeneethanol, 2,5-diamino-, sulfate (1:1)
Benzeneethanol, 2,5-diamino-, sulfate (1:1) (salt)

Work with 2-(2,5-Diaminophenyl)ethanol sulfate (1:1)

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

1,3-Diamino-4-(2-hydroxyethoxy)benzene sulfate70643-20-857 % similar 2,5-Diaminotoluene sulfate615-50-955 % similar 2-Chloro-1,4-diaminobenzene monosulfate61702-44-155 % similar C.I. Oxidation base 13A6219-71-255 % similar Phenol, 2,4-diamino-, sulfate (1:?)74283-34-453 % similar 2,5-Diaminoanisole sulfate66671-82-752 % similar Benzene-1,4-diamine; hydroxy hydrogen sulfite16245-77-550 % similar Nitro-1,4-benzenediamine sulfate (1:1)68239-83-849 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

2,4-Diamino phenetole sulfate68015-98-5 1,2-Benzenediamine, 4-ethoxy-, sulfate (1:1)85137-09-3

Elsewhere

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